N-(pyridin-2-ylmethyl)-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-(pyridin-2-ylmethyl)-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(2-pyridylmethyl)-4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(2-pyridinylmethyl)-4-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-2-ylmethyl)-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(2-pyridylmethyl)-4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H27N3O2S/c26-22(24-15-18-3-1-2-11-23-18)17-4-6-20(7-5-17)27-21-8-12-25(13-9-21)19-10-14-28-16-19/h1-7,11,19,21H,8-10,12-16H2,(H,24,26)/p+1/t19-/m0/s1